2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)ethyl]ethanamide

Systemtic Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)ethyl]ethanamide Openeye Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxy-phenyl]-N-(1-thiazol-3-ium-3-ylethyl)acetamide CAS Name: 2-[3-[[methylamino(sulfanylidene)methyl]sulfamoyl]-4-propoxyphenyl]-N-[1-(3-thiazol-3-iumyl)ethyl]acetamide IUPAC Name: 2-[3-(methylcarbamothioylsulfamoyl)-4-propoxyphenyl]-N-[1-(1,3-thiazol-3-ium-3-yl)ethyl]acetamide Traditional Name: 2-[3-(methylthiocarbamoylsulfamoyl)-4-propoxy-phenyl]-N-(1-thiazol-3-ium-3-ylethyl)acetamide Formula: C18H25N4O4S3+ MolecularWeight: 457.6105

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=C(C=C(C=C1)CC(=O)NC(C)[N+]2=CSC=C2)S(=O)(=O)NC(=S)NC

Isomeric SMILES

CCCOC1=C(C=C(C=C1)CC(=O)NC(C)[N+]2=CSC=C2)S(=O)(=O)NC(=S)NC

InChI

InChI=1S/C18H24N4O4S3/c1-4-8-26-15-6-5-14(10-16(15)29(24,25)21-18(27)19-3)11-17(23)20-13(2)22-7-9-28-12-22/h5-7,9-10,12-13H,4,8,11H2,1-3H3,(H2-,19,20,21,23,27)/p+1